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41 lines
1016 B
OCaml
41 lines
1016 B
OCaml
(* Type *)
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(* [[file:~/QCaml/gaussian/atomic_shell.org::*Type][Type:1]] *)
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type t
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open Common
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(* Type:1 ends here *)
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(* Access *)
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(* [[file:~/QCaml/gaussian/atomic_shell.org::*Access][Access:1]] *)
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val ang_mom : t -> Angular_momentum.t
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val center : t -> Coordinate.t
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val coefficients : t -> float array array
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val contracted_shells : t -> Contracted_shell.t array
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val exponents : t -> float array array
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val index : t -> int
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val normalizations : t -> float array array
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val norm_scales : t -> float array
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val size_of_shell : t -> int
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val size : t -> int
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(* Access:1 ends here *)
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(* Creation *)
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(* [[file:~/QCaml/gaussian/atomic_shell.org::*Creation][Creation:1]] *)
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val make : ?index:int -> Contracted_shell.t array -> t
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val with_index : t -> int -> t
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(* Creation:1 ends here *)
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(* Printers *)
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(* [[file:~/QCaml/gaussian/atomic_shell.org::*Printers][Printers:1]] *)
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val pp : Format.formatter -> t -> unit
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(* Printers:1 ends here *)
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